The
low-temperature
oxidation
(LTO)
mechanism
of
n-heptane
on
CeO2
surfaces
was
investigated
in
this
study
employing
density
functional
theory
(DFT).
Firstly,
the
adsorption
conformations
relevant
species
were
optimized,
and
main
reaction
steps'
energy
barriers
reaction-rate
coefficients
calculated.
results
show
that
hydroxyl
groups
fuel
radicals
strengthen
surfaces.
Furthermore,
associated
with
(LT)
chain
branching
pathway
surface
exhibit
lower
values
compared
to
those
observed
gas
phase.
presence
is
also
mitigate
detrimental
impact
competing
reactions
n-heptane.
It
should
be
noted
barrier
for
decomposition
H2O2
32.575
kcal/mol,
33.2%
than
phase,
which
allows
decomposed
much
easier
at
low
temperatures.
resultant
OH
desorb
intimated
accelerating
molecules
Therefore,
transitioned
high-temperature
ignition
more
easily
rapidly
CeO2.
calculation's
findings
adequately
explain
experimental
finding
adding
improves
diesel
combustion.
Journal of Materials Research and Technology,
Год журнала:
2023,
Номер
24, С. 8241 - 8251
Опубликована: Май 1, 2023
Herein,
nanocomposite
polymer
electrolyte
films
were
prepared
from
the
blend
of
two
polymers,
polyethylene
oxide
(PEO)
and
carboxymethyl
cellulose
(CMC),
stuffed
with
various
contents
gold
quantum
dots
(AuQDs)
copper
nanoparticles
(CuNPs)
as
hybrid
nanofiller
via
solution
casting
method.
AuQDs
using
laser
ablation
in
liquid
(LAL).
TEM
images
showed
that
average
size
is
nearly
6.21
nm
a
spherical
shape.
The
effects
nano-filler
(AuQDs
CuNPs)
on
PEO/CMC
structural,
optical,
electrical/dielectric
characteristics
have
been
investigated
discussed.
XRD
results
revealed
crystallinity
degree
samples
decreased
increasing
AuQDs/CuNPs
content.
Also,
UV–Vis
spectroscopy
analysis
uncovered
optical
energy
gap
reduced
nanofillers'
content
increased.
At
room
temperature,
electrical
impedance
(EIS)
measurements
loading
increases
films'
conductivity.
In
dielectric
properties,
space
charges
polarization
higher
values,
where
constant
(ε′)
increased
at
lower
frequency
regions.
Nyquist
diagram
semicircular
shape
frequencies
part
linear
decreasing
radius;
equivalent
circuit
models
could
be
best
fit.
These
suggest
these
candidates
for
capacitors
flexible
storage
devices.
Scientific Reports,
Год журнала:
2025,
Номер
15(1)
Опубликована: Янв. 31, 2025
Abstract
Drought
can
affect
all
growth
stages
and
has
a
significant
effect
on
seed
germination,
which
affects
physiological
metabolic
germination
processes.
It
also
leads
to
dehydration,
increases
the
oxidation
of
lipids
membranes
disrupts
functioning
biomolecules
in
plants.
Zinc
is
an
essential
element
for
several
enzymes
involved
metabolism,
cell
elongation,
preservation
strength
integrity
membranes,
development,
resistance
environmental
stress.
A
pot
experiment
was
conducted
determine
how
ZnO
priming,
either
form
NPs
(nanopriming)
or
bulk
priming
(60
mg
L
−
1
),
counteracts
negative
impacts
drought
at
different
levels
(80%
60%
FC)
wheat
(
Triticum
aestivum
L.)
seedlings
seedling
stage.
recent
revealed
that
agents
significantly
mitigate
effects
stress,
especially
FC,
by
positively
influencing
various
parameters
seedlings.
Notably,
POD
activity
increased
91.8%
289.9%
shoots,
218.6%
261.6%
roots,
phenolic
content
194.4%
shoots
1139.6%
H
2
O
scavenging
percentage
124.9%
135.4%
147.6%
lipid
peroxidation
inhibition
320.6%
433%
shoots.
Moreover,
utilization
had
profound
free
amino
acids
(393.8%,
502.8%
roots)
soluble
carbohydrates
(183.4%
compared
with
those
stressed
without
priming.
Experimental
computational
methods
(time-dependent
density
functional
theory
(TD-DFT))
were
employed
perform
IR
XRD
analyses
isolated
molecules
NPs/Iso.
In
conclusion,
application
found
create
effective
mechanical
barriers,
as
confirmed
analysis
antioxidant
enzyme
activities,
nonenzymatic
components,
radical
scavenging,
osmoprotectant
constituents.
Journal of Materials Research and Technology,
Год журнала:
2024,
Номер
28, С. 4199 - 4211
Опубликована: Янв. 1, 2024
Conducting
polymer
blend
of
poly
ortho-anthranilic
acid
and
ortho-phenylene
diamine
(PANPDA)
doped
with
HCl
was
synthesized
in
an
aqueous
solution
using
ferric
chloride
as
oxidizing
agent
sodium
dodecyl
sulfate
a
template.
This
study
extends
prior
research
the
field
by
characterizing
blend,
employing
techniques
such
ATR-Raman
spectroscopy,
SEM,
XRD.
According
to
XRD
analysis,
PANPDA
exhibited
orthorhombic
crystal
structure
Pnn2
space
group,
while
SEM
indicated
average
crystallite
size
(D)
154.1
nm.
Optical
properties
laser
photoluminescence
films
were
investigated.
Geometrical
analysis
performed
time-dependent
density
functional
theory
(TD-DFT)
optimization
via
TD-DFTD/Mol3
Cambridge
Serial
Total
Energy
Bundle
(TD-FDT/CASTEP).
ATR-Raman,
based
on
TD-DFT,
revealed
interactions
between
monomers
leading
nanofiber
thin
films.
Within
wavelength
range
190–800
nm,
optical
studied.
The
direct
energy
gap
calculated
TD-DFT
1.875
eV.
refractive
index
had
maximum
value
1.93
at
1.63
for
film.
Laser
spectra
displayed
emission
peak
λmax
=
621.13
nm
In
heterojunction
Au/(PANPDA)/p-Si/Al,
fill
factor
(FF)
power
conversion
efficiency
found
be
41.60
%
14.61
240
W/cm2,
respectively.
investigated
bandgap
holds
promise
various
storage
solar
cell
applications.
Physica Scripta,
Год журнала:
2024,
Номер
99(3), С. 036101 - 036101
Опубликована: Фев. 7, 2024
Abstract
In
contrast
to
a
polymer
nanocomposite
for
high
energy
density
application,
lead-free
material
such
as
zinc
oxide
(ZnO)
and
non-toxic
matrix
polyvinylidene
fluoride
(PVDF)
can
serve
potential
candidate
use
in
eco-friendly
applications.
the
present
report,
an
effort
has
been
made
enhance
dielectric
behaviour
of
PVDF-based
nanocomposites
by
adding
ZnO
nanoparticles
(NPs)
TiO
2
-coated
NPs
(TZO)
nanofillers.
A
wet
chemical
precipitation
technique
was
adopted
synthesize
thin
films
PVDF,PVDF-ZnO,
PVDF-TZO
nanocomposites.
The
structural,
dielectric,
ferroelectric,
studies
PVDF,
PVDF-ZnO,
were
performed
different
concentrations
(10%,
20%,
30%,
40%)
Structural
characterization
carried
out
using
x-ray
diffraction
confirmed
formation
PVDF-ZnO
peaks
(110)
(200)
belonging
β
-phase
(100,
(002),
(101),
(110),
(103),
(200),
(112),
(210)
observed
ZnO,
(116),
(202)
case
PVDF+
10%
TZO
PVDF+40%
films.
functional
groups
PVDF
detected
Fourier
transform
infrared
spectrometer
(FTIR).
surface
microstructural
pure
showed
spherulites
microimages
depicted
inhomogeneous
distribution
particles
matrix.
maximum
value
constant,
density,
remnant
polarization,
minimum
loss
PVDF-TZO.
show
65.3
μ
J/cm
3
40%
nanofiller
(TZO).
